Mol:FLIG1LNF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 31  0  0  0  0  0  0  0  0999 V2000 
   -3.0632    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0632    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5069   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9506    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9506    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5069    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3943   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8380    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3943    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2819   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2819   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3128   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9076   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9076   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3128    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8380    0.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6193    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5069   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3193    0.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3943   -0.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5608   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9645   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5608    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6506   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9937   -1.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9937    0.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6193   -0.4706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  8 16  2  0  0  0  0 
 16  9  1  0  0  0  0 
  1 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 15  1  0  0  0  0 
  7 20  2  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 14  1  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
S  SKP  8 
ID	FLIG1LNF0001 
KNApSAcK_ID	C00010065 
NAME	Lupinalbin E 
CAS_RN	98113-95-2 
FORMULA	C20H16O7 
EXACTMASS	368.089602866 
AVERAGEMASS	368.33684000000005 
SMILES	C(c51)C(Oc1ccc(c54)c(c3o4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C)(C)O 
M  END